IBS-ZINC04995109 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 63 0 0 1 0 0 0 0 0999 V2000 -0.7430 -1.3410 0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 -1.7740 1.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 -0.7540 4.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -0.3840 4.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 -0.2920 2.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 1.1960 2.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 1.5400 1.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7080 2.9790 1.5030 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5320 3.7430 2.4390 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1550 3.5090 3.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2240 5.1840 2.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 5.1720 0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0970 3.7490 0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 3.3980 -0.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0410 6.1090 0.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5460 6.2650 2.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2390 6.1410 3.9930 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1930 7.6370 2.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0950 8.2640 3.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 9.5690 2.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5120 10.2540 1.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6090 9.6350 1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9530 8.3320 1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4240 10.1900 0.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 11.4250 -0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0070 3.4020 2.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7870 3.2940 3.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1360 2.9960 3.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7600 2.7940 2.1790 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9980 2.9130 1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6420 3.2160 1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.9610 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -2.1920 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -0.5580 0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 -2.1610 2.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -2.5480 1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -0.0870 4.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -1.7890 4.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 -0.4680 5.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1650 0.6490 4.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6950 -1.0380 4.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 -0.5770 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5740 -0.9230 2.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 1.7750 1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 1.5020 3.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3480 1.0940 2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5620 1.1450 0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4540 7.0370 4.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 7.7390 3.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 10.0550 3.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2170 11.2670 1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8090 7.8580 1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0330 12.2270 0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6990 11.6870 -1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0030 11.3400 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3620 3.4540 4.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7700 2.9120 4.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5200 2.7540 0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1050 3.2960 0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 -0.5860 2.6070 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1200 0.2310 2.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 60 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 60 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 5 60 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 46 1 0 0 0 0 7 47 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 13 14 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 21 22 2 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 60 61 1 0 0 0 0 M CHG 1 60 1 M END